00001 // 00002 // types.h 00003 // 00004 // Copyright (C) 1996 Limit Point Systems, Inc. 00005 // 00006 // Author: Curtis Janssen <cljanss@limitpt.com> 00007 // Maintainer: LPS 00008 // 00009 // This file is part of the SC Toolkit. 00010 // 00011 // The SC Toolkit is free software; you can redistribute it and/or modify 00012 // it under the terms of the GNU Library General Public License as published by 00013 // the Free Software Foundation; either version 2, or (at your option) 00014 // any later version. 00015 // 00016 // The SC Toolkit is distributed in the hope that it will be useful, 00017 // but WITHOUT ANY WARRANTY; without even the implied warranty of 00018 // MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the 00019 // GNU Library General Public License for more details. 00020 // 00021 // You should have received a copy of the GNU Library General Public License 00022 // along with the SC Toolkit; see the file COPYING.LIB. If not, write to 00023 // the Free Software Foundation, 675 Mass Ave, Cambridge, MA 02139, USA. 00024 // 00025 // The U.S. Government is granted a limited license as per AL 91-7. 00026 // 00027 00028 #ifndef _chemistry_qc_intv3_types_h 00029 #define _chemistry_qc_intv3_types_h 00030 00031 #include <chemistry/qc/basis/gaussbas.h> 00032 00033 /* Types that are used for integrals, but for which we don't need all 00034 * of the sgen utilities, are defined here. */ 00035 00036 class der_centersv3_t { 00037 public: 00038 int n; 00039 GaussianBasisSet *cs[4]; 00040 int num[4]; 00041 GaussianBasisSet *ocs; /* The omitted center's centers_t. */ 00042 int onum; /* The omitted center's number. */ 00043 }; 00044 00045 #endif 00046 00047 // Local Variables: 00048 // mode: c++ 00049 // c-file-style: "CLJ" 00050 // End: